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[会议论文] 作者：Weitao Yang,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Weitao Yang,
来源：The International Conference on Theory and Applications of C 年份：2008
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[会议论文] 作者：Weitao Yang,
来源：2015国际分子生物物理学前沿研讨会暨2015计算化学国际前沿研讨会 年份：2015
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Free energy of chemical reaction and redox process in solution and in enzymes with the ab initio QMM
[会议论文] 作者：Weitao Yang,
来源：第五届国际理论化学、分子模拟和生命科学研讨会 年份：2010
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[会议论文] 作者：Weitao Yang,
来源：数学生物物理及分子生物学研讨会(The Mathematical Biophysics and Molecular Bi 年份：2016
Department of Chemistry and Physics,Duke University and Key Labora-tory of Theoretical Chemistry of Environment,School of Chemistry and Environment,South Ch...
[会议论文] 作者：Weitao Yang,
来源：第十三届全国量子化学会议 年份：2017
Density functional theory of electronic structure is widely and successfully used in simulations throughout engineering and sciences.However,there are major fai...
The wonders of electron density: from half an electron to noncovalent interactions of biomolecular c
[会议论文] 作者：Weitao Yang,
来源：中国化学会第29届学术年会 年份：2014
Interactions between electrons determine the structure and properties of matter from molecules to solids.To describe interacting electrons,the simple three-dimensional electron density can be used as...
[期刊论文] 作者：Zhirong Chen,Weitao Yang,Hong,
来源：中国化学工程学报：英文版 年份：2017
The uncatalyzed reaction of p-tolyl isocyanate(p-TI)with water in N,N-dimethylformamide(DMF)was investigated by high performance liquid chromatography(HPLC).The...
A non-fullerene acceptor enables efficient P3HT-based organic solar cells with small voltage loss an
[期刊论文] 作者：Ning Wang,Weitao Yang,Shuixing,
来源：黑龙江科技学院学报 年份：2019
为探究吕家坨井田地质构造格局,根据钻孔勘探资料,采用分形理论和趋势面分析方法,研究了井田7...
[期刊论文] 作者：Weitao Yang,Long Ye,Fenfa Yao,,
来源：黑龙江科技学院学报 年份：2019
为探究吕家坨井田地质构造格局,根据钻孔勘探资料,采用分形理论和趋势面分析方法,研究了井田7...
Bioinspired Gd:CuS multifunctional nanoparticles for targeted in vivo MR/photoacoustic cancer imagin
[会议论文] 作者：Weitao Yang,Jin Chang,Bingbo Zhang,
来源：第二届纳米医药国际会议(The 2nd International Conference on Nanomedicine 年份：2016
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Investigation for Natural Convection Heat Transfer of Sucrose Solution Using a Converging and Diverg
[期刊论文] 作者：Zhang Lianshan,Deng Xianhe,Liu Weitao,Yang Zhiping,,
来源：China Petroleum Processing & Petrochemical Technology 年份：2014
The natural convection heat transfer of a 60% sucrose solution in a vertical converging-diverging tube(CD) with regularly-spaced twisted tapes(RSTT) has been in...
[期刊论文] 作者：Zhirong Chen,Weitao Yang,Hong Yin,Shenfeng Yuan,,
来源：Chinese Journal of Chemical Engineering 年份：2017
The uncatalyzed reaction of p-tolyl isocyanate(p-TI)with water in N,N-dimethylformamide(DMF)was investigated by high performance liquid chromatography(HPLC).The...
Scaling correction approaches for reducing delocalization error in density functional approximations
[期刊论文] 作者：Xiao Zheng,Chen Li,Dadi Zhang,Weitao Yang,,
来源：Science China(Chemistry) 年份：2015
Delocalization error associated with the presently used density functional approximations is one of the main sources of errors which plague density functional t...
Smart Upconversion Nanosystem for Near-Infrared Light Triggered Photodynamic Therapy and pH-Responsi
[会议论文] 作者：Sheng Wang,Weitao Yang,Jin Chang,Hanjie Wang,
来源：纳米药物及纳米生物技术国际学术大会暨中国药学会纳米药物专业委员会成立大会 年份：2015
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[会议论文] 作者：DaDi Zhang,Xiao Zheng,Chen Li,Weitao Yang,
来源：第十三届全国量子化学会议 年份：2017
We explore effects of orbital relaxation on Kohn-Sham frontier orbital energies in density func-tional theory by using a nonempirical scaling correction app...
Smart Upconversion Nanosystem for Near-Infrared Light Triggered Photodynamic Therapy and pH-Responsi
[会议论文] 作者：Sheng Wang,Weitao Yang,Jin Chang,Hanjie Wang,
来源：纳米药物及纳米生物技术国际学术大会暨中国药学会纳米药物专业委员会成立大会 年份：2015
Current chemotherapy is limited in the clinical applications due to two major challenges: side effects of antitumor drugs and low treatment efficacy [1, 2].Here we developed a kind of smart upconversi...
[会议论文] 作者：Lin Shen,Mingjun Yang,Hao Hu,Weitao Yang,
来源：第十一届全国化学生物学学术会议 年份：2019
Computer simulation of biochemical processes is very important and the development on simulation methods with good efficiency and accuracy is an everlasting task....
[期刊论文] 作者：Chen Li,Xiao Zheng,Neil Qiang SU,Weitao Yang,
来源：国家科学评论（英文版） 年份：2018
The delocalization error of popular density functional approximations (DFAs) leads to diversified problems in present-day density functional theory calculations...
[会议论文] 作者：Liang Peng,Daoling Peng,Feng Long Gu,Weitao Yang,
来源：第十三届全国量子化学会议 年份：2017
A linear scaling method based on non-orthogonal localized molecular orbitals(NOLMO)has been proposed.NOLMOs are the most localized representation of electro...
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